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{
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{
"id": "jvasp-17618",
"created_at": "2022-09-04T14:37:34.885403Z",
"updated_at": "2022-09-04T14:37:34.885435Z",
"structure_string": "Mn2 Ga1 Co1\n1.0\n3.518655 0.000000 2.031496\n1.172885 3.317420 2.031496\n0.000000 -0.000000 4.062992\nMn Ga Co\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.749998 0.750000 0.750002 Mn\n0.249999 0.250000 0.250001 Ga\n0.499999 0.500000 0.500001 Co\n",
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{
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"structure_string": "Li1 Hf1 Rh2\n1.0\n0.000000 3.106375 3.106375\n3.106375 -0.000000 3.106375\n3.106375 3.106375 0.000000\nLi Hf Rh\n1 1 2\ndirect\n0.750001 0.750001 0.750001 Li\n0.250000 0.250000 0.250000 Hf\n0.000000 0.000000 0.000000 Rh\n0.500001 0.500001 0.500001 Rh\n",
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{
"id": "jvasp-31671",
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"updated_at": "2022-09-04T14:37:11.903179Z",
"structure_string": "Li4 B4 H16\n1.0\n4.379227 -0.000000 0.000000\n-0.000000 6.643383 0.000000\n0.000000 0.000000 6.906875\nLi B H\n4 4 16\ndirect\n0.250000 0.111939 0.160326 Li\n0.750001 0.888061 0.839673 Li\n0.750001 0.611938 0.339674 Li\n0.250000 0.388061 0.660326 Li\n0.250000 0.435801 0.300248 B\n0.750001 0.564198 0.699751 B\n0.750001 0.935801 0.199752 B\n0.250000 0.064199 0.800247 B\n0.750001 0.719943 0.603052 H\n0.250000 0.280056 0.396948 H\n0.250000 0.582573 0.407853 H\n0.750001 0.417427 0.592147 H\n0.750001 0.082573 0.092147 H\n0.250000 0.917426 0.907852 H\n0.024939 0.435939 0.195033 H\n0.975062 0.564060 0.804966 H\n0.975062 0.935939 0.304966 H\n0.475062 0.064061 0.695033 H\n0.750001 0.780056 0.103052 H\n0.475062 0.435939 0.195033 H\n0.024939 0.064061 0.695033 H\n0.524939 0.935939 0.304966 H\n0.524939 0.564060 0.804966 H\n0.250000 0.219944 0.896947 H\n",
"nsites": 24,
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"volume": 200.9409007792519,
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"formula_full": "Li4 B4 H16",
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},
{
"id": "jvasp-114461",
"created_at": "2022-09-04T14:38:40.858821Z",
"updated_at": "2022-09-04T14:38:40.858850Z",
"structure_string": "B2 Br1\n1.0\n3.233011 -0.026346 0.171114\n-1.600506 -3.106609 0.024008\n0.332727 -1.844958 -5.037590\nB Br\n2 1\ndirect\n0.731419 0.059233 0.426686 B\n0.223899 0.059854 0.426532 B\n0.865794 0.849981 0.822906 Br\n",
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"volume": 51.6336087329096,
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"spacegroup": 8
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{
"id": "jvasp-15855",
"created_at": "2022-09-04T14:37:49.933229Z",
"updated_at": "2022-09-04T14:37:49.933252Z",
"structure_string": "Er3 Al1 C1\n1.0\n5.269540 -0.000000 0.000000\n-0.000000 5.269540 0.000000\n0.000000 0.000000 5.269540\nEr Al C\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Er\n0.500000 0.500000 0.000000 Er\n0.500000 0.000000 0.500000 Er\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 C\n",
"nsites": 5,
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"elements": [
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"volume": 146.32485974329867,
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},
{
"id": "jvasp-27231",
"created_at": "2022-09-04T14:38:34.991805Z",
"updated_at": "2022-09-04T14:38:34.991831Z",
"structure_string": "As12 Ir4\n1.0\n7.031253 -0.000000 -2.485924\n-3.515627 6.089244 -2.485924\n-0.000000 -0.000000 7.457771\nAs Ir\n12 4\ndirect\n0.492885 0.145573 0.347312 As\n0.145572 0.652687 0.798261 As\n0.347312 0.201739 0.854427 As\n0.854426 0.652687 0.507115 As\n0.652687 0.798260 0.145573 As\n0.854427 0.347312 0.201740 As\n0.652687 0.507115 0.854427 As\n0.347312 0.492885 0.145573 As\n0.145572 0.347312 0.492885 As\n0.798260 0.145573 0.652688 As\n0.201739 0.854427 0.347312 As\n0.507114 0.854427 0.652688 As\n0.499999 0.500000 0.500000 Ir\n-0.000000 0.500000 0.000000 Ir\n0.000000 0.000000 0.500000 Ir\n0.500000 0.000000 0.000000 Ir\n",
"nsites": 16,
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"elements": [
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"volume": 319.30457829602756,
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"formula_full": "As12 Ir4",
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{
"id": "jvasp-43394",
"created_at": "2022-09-04T14:38:28.603858Z",
"updated_at": "2022-09-04T14:38:28.603872Z",
"structure_string": "Li2 Sn2 P2 C2 O14\n1.0\n0.000000 5.002027 0.043131\n6.497842 0.000000 0.000000\n0.000000 -0.771247 -8.616011\nLi Sn P C O\n2 2 2 2 14\ndirect\n0.843434 0.250000 0.896406 Li\n0.156566 0.750000 0.103594 Li\n0.783095 0.750000 0.677963 Sn\n0.216905 0.250000 0.322037 Sn\n0.742513 0.250000 0.584816 P\n0.257487 0.750000 0.415184 P\n0.618689 0.750000 0.949538 C\n0.381311 0.250000 0.050462 C\n0.536740 0.250000 0.182917 O\n0.179962 0.933752 0.305027 O\n0.179962 0.566248 0.305027 O\n0.886283 0.250000 0.437700 O\n0.562510 0.750000 0.465476 O\n0.437490 0.250000 0.534524 O\n0.463260 0.750000 0.817083 O\n0.820038 0.433752 0.694973 O\n0.820038 0.066248 0.694973 O\n0.534153 0.750000 0.079416 O\n0.465847 0.250000 0.920584 O\n0.882471 0.750000 0.927222 O\n0.113717 0.750000 0.562300 O\n0.117529 0.250000 0.072778 O\n",
"nsites": 22,
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"elements": [
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"chemical_system": "C-Li-O-P-Sn",
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"density_atomic": 0.07862064373614588,
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"formula_full": "Li2 Sn2 P2 C2 O14",
"formula_reduced": "LiSnPCO7",
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{
"id": "jvasp-42332",
"created_at": "2022-09-04T14:36:18.316694Z",
"updated_at": "2022-09-04T14:36:18.316727Z",
"structure_string": "Li4 Mn2 P4 H2 O16\n1.0\n0.000000 4.746533 0.008269\n8.246545 0.000000 0.000000\n0.000000 -1.900005 -7.311982\nLi Mn P H O\n4 2 4 2 16\ndirect\n0.364842 0.637478 0.902635 Li\n0.635156 0.137478 0.097365 Li\n0.854205 0.861075 0.403191 Li\n0.145793 0.361075 0.596808 Li\n0.252270 -0.001019 0.746789 Mn\n0.747729 0.498981 0.253210 Mn\n0.880740 0.855086 0.005445 P\n0.119258 0.355086 0.994555 P\n0.377582 0.641966 0.510748 P\n0.622416 0.141965 0.489251 P\n0.771045 0.491343 0.759796 H\n0.228953 0.991343 0.240204 H\n0.882202 0.335286 0.102027 O\n0.117796 0.835286 0.897973 O\n0.992242 0.444407 0.806820 O\n0.866528 0.027089 0.598530 O\n0.741460 0.307647 0.455823 O\n0.007756 0.944407 0.193179 O\n0.612833 0.662613 0.399645 O\n0.258538 0.807647 0.544177 O\n0.761852 0.692261 0.045657 O\n0.638235 0.972535 0.903533 O\n0.498948 0.552334 0.693891 O\n0.387166 0.162613 0.600355 O\n0.238146 0.192261 0.954342 O\n0.361764 0.472535 0.096466 O\n0.501050 0.052334 0.306109 O\n0.133470 0.527089 0.401470 O\n",
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"formula_full": "Li4 Mn2 P4 H2 O16",
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{
"id": "jvasp-111143",
"created_at": "2022-09-04T14:38:46.934752Z",
"updated_at": "2022-09-04T14:38:46.934786Z",
"structure_string": "Mn1 H2 O2\n1.0\n3.330078 -0.009640 0.060488\n-1.652964 2.882926 -0.211295\n-0.083577 0.287782 4.612328\nMn H O\n1 2 2\ndirect\n0.087723 0.012407 0.977932 Mn\n0.420960 0.679222 0.534584 H\n0.754547 0.346062 0.421255 H\n0.420868 0.678779 0.746002 O\n0.754542 0.346052 0.209837 O\n",
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"volume": 44.394674827356695,
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},
{
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"created_at": "2022-09-04T14:38:05.761484Z",
"updated_at": "2022-09-04T14:38:05.761514Z",
"structure_string": "Na4 P2 Ru2 C2 O14\n1.0\n0.000000 5.146624 0.027932\n6.513640 0.000000 0.000000\n0.000000 -0.234163 -9.015051\nNa P Ru C O\n4 2 2 2 14\ndirect\n0.758910 0.989593 0.239895 Na\n0.758910 0.510407 0.239895 Na\n0.241090 0.489593 0.760105 Na\n0.241090 0.010407 0.760105 Na\n0.290520 0.750000 0.417612 P\n0.709480 0.250000 0.582388 P\n0.211373 0.250000 0.343610 Ru\n0.788627 0.750000 0.656390 Ru\n0.289161 0.250000 0.071503 C\n0.710839 0.750000 0.928497 C\n0.522916 0.750000 0.823475 O\n0.797989 0.061271 0.676223 O\n0.797989 0.438729 0.676223 O\n0.160378 0.750000 0.569875 O\n0.407866 0.250000 0.559248 O\n0.592134 0.750000 0.440752 O\n0.058061 0.250000 0.130892 O\n0.202011 0.561271 0.323777 O\n0.202011 0.938729 0.323777 O\n0.477084 0.250000 0.176525 O\n0.941939 0.750000 0.869108 O\n0.670862 0.750000 0.063673 O\n0.839622 0.250000 0.430125 O\n0.329138 0.250000 0.936327 O\n",
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{
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"updated_at": "2022-09-04T14:38:04.580878Z",
"structure_string": "Zr2 Si1 Te2 As1\n1.0\n3.768866 0.000000 0.000000\n0.000000 3.768866 0.000000\n0.000000 -0.000000 10.029877\nZr Si Te As\n2 1 2 1\ndirect\n0.500000 -0.000000 0.791830 Zr\n-0.000000 0.500000 0.208170 Zr\n0.500000 0.500000 -0.000000 Si\n0.500000 -0.000000 0.345377 Te\n-0.000000 0.500000 0.654624 Te\n0.000000 0.000000 0.000000 As\n",
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{
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"updated_at": "2022-09-04T14:38:26.617299Z",
"structure_string": "Li4 Al2 Cr4 Sb2 O16\n1.0\n5.847101 -0.005946 0.026503\n2.956406 5.044630 0.026503\n-0.006831 -0.003910 9.542702\nLi Al Cr Sb O\n4 2 4 2 16\ndirect\n0.334201 0.334200 0.598241 Li\n0.665572 0.665571 0.093147 Li\n0.001577 0.001577 0.007031 Li\n0.998243 0.998241 0.513575 Li\n0.340277 0.830141 0.785678 Al\n0.830142 0.340276 0.785678 Al\n0.168479 0.660600 0.285981 Cr\n0.830068 0.830066 0.785808 Cr\n0.168800 0.168800 0.285630 Cr\n0.660601 0.168478 0.285981 Cr\n0.333970 0.333970 0.009397 Sb\n0.664786 0.664785 0.514175 Sb\n0.331747 0.331747 0.392761 O\n0.517061 0.517060 0.662728 O\n0.484764 0.032099 0.158577 O\n0.032100 0.484763 0.158577 O\n0.483095 0.483095 0.159431 O\n0.659831 0.659830 0.887234 O\n0.836470 0.323559 0.404998 O\n0.008099 0.008099 0.700531 O\n0.836529 0.836528 0.405963 O\n0.169691 0.676594 0.900275 O\n0.676594 0.169690 0.900275 O\n0.165122 0.165121 0.898323 O\n0.965479 0.513107 0.661723 O\n0.000046 0.000046 0.190949 O\n0.323560 0.836469 0.404998 O\n0.513108 0.965477 0.661723 O\n",
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}